SCHEMBL28816065

SCHEMBL28816065

NCCCCC(N)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 10/20 0.41
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 4/20 0.36
GSR P00390 1/20 0.34
DPP9 Q86TI2 3/20 0.34
FAP Q12884 1/20 0.34
CPB2 Q96IY4 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29030623 0.98 DPP7 (0.40) DPP7DPP4DPP8GSRDPP9
SCHEMBL8966400 0.86 CA12 (0.38) DPP7DPP4DPP8GSRDPP9
SCHEMBL8390873 0.81 OPRM1 (0.43) DPP7
SCHEMBL5839699 0.81 OPRM1 (0.43) DPP7
SCHEMBL10970789 0.79 DPP7 (0.36) DPP7
SCHEMBL7771636 0.78 HRH3 (0.42) DPP7DPP4DPP8DPP9FAP
SCHEMBL7626764 0.78 DPP7 (0.34) DPP7DPP4DPP8GSRDPP9
SCHEMBL2914564 0.76 HRH3 (0.40) DPP7DPP4DPP8DPP9FAP
SCHEMBL13356069 0.74 DPP7 (0.36) DPP7DPP4DPP8GSRDPP9
SCHEMBL9417420 0.74 OPRM1 (0.44) DPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211636-A Nitrogen-containing heterocyclic compound, and production method and application thereof SHANGHAI CATHAY BIOTECHNOLOGY RES CT CO LTD 2014-12-17 CN disclosed